3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one

C9H19NOSi — CID 134877198

IUPAC3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one
SMILESCC1(C)CCN([Si](C)(C)C)C1=O
InChIInChI=1S/C9H19NOSi/c1-9(2)6-7-10(8(9)11)12(3,4)5/h6-7H2,1-5H3
InChIKeyRUDQZKNJKHJWSB-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds1

About 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one

3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one (PubChem CID 134877198) has the molecular formula C9H19NOSi and a molecular weight of 185.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one
PubChem CID134877198
Molecular FormulaC9H19NOSi
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one
SMILESCC1(C)CCN([Si](C)(C)C)C1=O
InChIInChI=1S/C9H19NOSi/c1-9(2)6-7-10(8(9)11)12(3,4)5/h6-7H2,1-5H3
InChIKeyRUDQZKNJKHJWSB-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one (CID 134877198) is 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one is CC1(C)CCN([Si](C)(C)C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one?
The InChIKey is RUDQZKNJKHJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOSi/c1-9(2)6-7-10(8(9)11)12(3,4)5/h6-7H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one?
3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one has a molecular weight of 185.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 134877198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).